N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

C28H31N5O3 — CID 164618753

IUPACN-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C28H31N5O3/c34-27(22-6-7-22)32-26-14-23(8-11-30-26)28(35)31-24-15-25(17-29-16-24)36-19-21-9-12-33(13-10-21)18-20-4-2-1-3-5-20/h1-5,8,11,14-17,21-22H,6-7,9-10,12-13,18-19H2,(H,31,35)(H,30,32,34)
InChIKeyMAPUWPDSUZHELW-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.37
Rot. Bonds9

About N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (PubChem CID 164618753) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
PubChem CID164618753
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC NameN-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C28H31N5O3/c34-27(22-6-7-22)32-26-14-23(8-11-30-26)28(35)31-24-15-25(17-29-16-24)36-19-21-9-12-33(13-10-21)18-20-4-2-1-3-5-20/h1-5,8,11,14-17,21-22H,6-7,9-10,12-13,18-19H2,(H,31,35)(H,30,32,34)
InChIKeyMAPUWPDSUZHELW-UHFFFAOYSA-N
XLogP4.37
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide with MolForge

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Related Compounds

4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
2-[(Cyclopropylcarbonyl)amino]-N-(4-Methoxypyridin-3-Yl)pyridine-4-Carboxamide
CID 117072455
2-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10526964
[(1R,4S,6R)-4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-propoxy-2-pyridinyl)methanone
CID 46218796
[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218918
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
2-(cyclopropanecarbonylamino)-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
CID 164623938
Nevirapin 4-substituted deriv. 4c
CID 464523
Nevirapin 4-substituted deriv. 4p
CID 464536
Nevirapin 4-substituted deriv. 4r
CID 464538
Nevirapin 4-substituted deriv. 4u
CID 464541
Nevirapin 4-substituted deriv. 4x
CID 464543

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (CID 164618753) is N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is O=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The InChIKey is MAPUWPDSUZHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c34-27(22-6-7-22)32-26-14-23(8-11-30-26)28(35)31-24-15-25(17-29-16-24)36-19-21-9-12-33(13-10-21)18-20-4-2-1-3-5-20/h1-5,8,11,14-17,21-22H,6-7,9-10,12-13,18-19H2,(H,31,35)(H,30,32,34).
What are the key properties of N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 164618753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).