N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H30N6O2 — CID 86873633

IUPACN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN1CCN(c2cc(CNC(=O)c3cc(C(C)C)nc4onc(C)c34)ccn2)CC1
InChIInChI=1S/C23H30N6O2/c1-5-28-8-10-29(11-9-28)20-12-17(6-7-24-20)14-25-22(30)18-13-19(15(2)3)26-23-21(18)16(4)27-31-23/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,25,30)
InChIKeyGHGHNOFJWYUFJF-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.12
Rot. Bonds6

About N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86873633) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID86873633
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN1CCN(c2cc(CNC(=O)c3cc(C(C)C)nc4onc(C)c34)ccn2)CC1
InChIInChI=1S/C23H30N6O2/c1-5-28-8-10-29(11-9-28)20-12-17(6-7-24-20)14-25-22(30)18-13-19(15(2)3)26-23-21(18)16(4)27-31-23/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,25,30)
InChIKeyGHGHNOFJWYUFJF-UHFFFAOYSA-N
XLogP3.12
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3,6-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 87005260
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808074
3-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86833408
1-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 86876850
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836493
2-[3-[[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120527364
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112817342
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 49266569
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78899618
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119406041
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 49172277

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 86873633) is N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN1CCN(c2cc(CNC(=O)c3cc(C(C)C)nc4onc(C)c34)ccn2)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GHGHNOFJWYUFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-5-28-8-10-29(11-9-28)20-12-17(6-7-24-20)14-25-22(30)18-13-19(15(2)3)26-23-21(18)16(4)27-31-23/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,25,30).
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86873633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).