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

C27H29N5O3 — CID 164615192

IUPACN-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1cncc(OC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C27H29N5O3/c33-26(20-6-7-20)31-25-14-21(8-11-29-25)27(34)30-22-15-24(17-28-16-22)35-23-9-12-32(13-10-23)18-19-4-2-1-3-5-19/h1-5,8,11,14-17,20,23H,6-7,9-10,12-13,18H2,(H,30,34)(H,29,31,33)
InChIKeyBGSBLBSUQGBVNW-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.12
Rot. Bonds8

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

N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (PubChem CID 164615192) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
PubChem CID164615192
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1cncc(OC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C27H29N5O3/c33-26(20-6-7-20)31-25-14-21(8-11-29-25)27(34)30-22-15-24(17-28-16-22)35-23-9-12-32(13-10-23)18-19-4-2-1-3-5-19/h1-5,8,11,14-17,20,23H,6-7,9-10,12-13,18H2,(H,30,34)(H,29,31,33)
InChIKeyBGSBLBSUQGBVNW-UHFFFAOYSA-N
XLogP4.12
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(1-benzylpiperidin-4-yl)oxy-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. 4v
CID 465594

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (CID 164615192) is N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is O=C(Nc1cncc(OC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The InChIKey is BGSBLBSUQGBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c33-26(20-6-7-20)31-25-14-21(8-11-29-25)27(34)30-22-15-24(17-28-16-22)35-23-9-12-32(13-10-23)18-19-4-2-1-3-5-19/h1-5,8,11,14-17,20,23H,6-7,9-10,12-13,18H2,(H,30,34)(H,29,31,33).
What are the key properties of N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
N-[5-(1-benzylpiperidin-4-yl)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 4.12, 8 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)oxy-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 164615192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).