2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide

C18H23N5O2 — CID 138036300

IUPAC2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
SMILESNC(=O)c1c[nH]c(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C18H23N5O2/c19-17(24)15-9-16(21-11-15)18(25)22-10-13-3-7-23(8-4-13)12-14-1-5-20-6-2-14/h1-2,5-6,9,11,13,21H,3-4,7-8,10,12H2,(H2,19,24)(H,22,25)
InChIKeyLNHVBCPZALVJBK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.15
Rot. Bonds6

About 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide

2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide (PubChem CID 138036300) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
PubChem CID138036300
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
SMILESNC(=O)c1c[nH]c(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C18H23N5O2/c19-17(24)15-9-16(21-11-15)18(25)22-10-13-3-7-23(8-4-13)12-14-1-5-20-6-2-14/h1-2,5-6,9,11,13,21H,3-4,7-8,10,12H2,(H2,19,24)(H,22,25)
InChIKeyLNHVBCPZALVJBK-UHFFFAOYSA-N
XLogP1.15
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 166243194
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
4-chloro-3-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895983
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 56723382
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63248566
2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 56704984
methyl 4-[[2-oxo-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]acetyl]amino]benzoate
CID 16887131

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide (CID 138036300) is 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide is NC(=O)c1c[nH]c(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is LNHVBCPZALVJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-17(24)15-9-16(21-11-15)18(25)22-10-13-3-7-23(8-4-13)12-14-1-5-20-6-2-14/h1-2,5-6,9,11,13,21H,3-4,7-8,10,12H2,(H2,19,24)(H,22,25).
What are the key properties of 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide?
2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 138036300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).