N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide

C24H29N5O — CID 131900167

IUPACN-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide
SMILESCC(C)c1nccc(CN2CCC(CNC(=O)c3cc4ccccc4cn3)CC2)n1
InChIInChI=1S/C24H29N5O/c1-17(2)23-25-10-7-21(28-23)16-29-11-8-18(9-12-29)14-27-24(30)22-13-19-5-3-4-6-20(19)15-26-22/h3-7,10,13,15,17-18H,8-9,11-12,14,16H2,1-2H3,(H,27,30)
InChIKeyOYVDEXRMPVTDBD-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.79
Rot. Bonds6

About N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide

N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide (PubChem CID 131900167) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide
PubChem CID131900167
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide
SMILESCC(C)c1nccc(CN2CCC(CNC(=O)c3cc4ccccc4cn3)CC2)n1
InChIInChI=1S/C24H29N5O/c1-17(2)23-25-10-7-21(28-23)16-29-11-8-18(9-12-29)14-27-24(30)22-13-19-5-3-4-6-20(19)15-26-22/h3-7,10,13,15,17-18H,8-9,11-12,14,16H2,1-2H3,(H,27,30)
InChIKeyOYVDEXRMPVTDBD-UHFFFAOYSA-N
XLogP3.79
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide with MolForge

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Related Compounds

2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95202302
N-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95209422
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 110848375
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
CID 50966597
1-[4-phenyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]ethanone
CID 56899461
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
CID 95194154
2-phenyl-1-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]ethanone
CID 95896053
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide?
The IUPAC name of N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide (CID 131900167) is N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide?
The canonical SMILES for N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide is CC(C)c1nccc(CN2CCC(CNC(=O)c3cc4ccccc4cn3)CC2)n1.
What is the InChIKey of N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide?
The InChIKey is OYVDEXRMPVTDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17(2)23-25-10-7-21(28-23)16-29-11-8-18(9-12-29)14-27-24(30)22-13-19-5-3-4-6-20(19)15-26-22/h3-7,10,13,15,17-18H,8-9,11-12,14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide?
N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 131900167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).