N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C26H34N6O2 — CID 172991713

IUPACN-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC56CC(C5)C6)nc4)CC3)CC2NC1=O
InChIInChI=1S/C26H34N6O2/c1-2-19-10-22-23(29-24(19)33)9-17(14-27-22)16-31-5-7-32(8-6-31)20-3-4-21(28-15-20)25(34)30-26-11-18(12-26)13-26/h3-4,10,14-15,17-18,22-23H,2,5-9,11-13,16H2,1H3,(H,29,33)(H,30,34)
InChIKeyPIFARTBLYHOZHR-UHFFFAOYSA-N
MW462.60 g/mol
LogP1.78
Rot. Bonds6

About N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 172991713) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID172991713
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC56CC(C5)C6)nc4)CC3)CC2NC1=O
InChIInChI=1S/C26H34N6O2/c1-2-19-10-22-23(29-24(19)33)9-17(14-27-22)16-31-5-7-32(8-6-31)20-3-4-21(28-15-20)25(34)30-26-11-18(12-26)13-26/h3-4,10,14-15,17-18,22-23H,2,5-9,11-13,16H2,1H3,(H,29,33)(H,30,34)
InChIKeyPIFARTBLYHOZHR-UHFFFAOYSA-N
XLogP1.78
TPSA89.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate
CID 172991711
N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189638
5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 164885413
N-methyl-5-[4-[[3-oxo-2-(2,2,2-trifluoroethyl)-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 164885428
1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one
CID 115938950
N-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-(2-fluorophenyl)piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728597
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
CID 109193366
5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 167844988
5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide
CID 167844996
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 172991713) is N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC56CC(C5)C6)nc4)CC3)CC2NC1=O.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is PIFARTBLYHOZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-2-19-10-22-23(29-24(19)33)9-17(14-27-22)16-31-5-7-32(8-6-31)20-3-4-21(28-15-20)25(34)30-26-11-18(12-26)13-26/h3-4,10,14-15,17-18,22-23H,2,5-9,11-13,16H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 172991713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).