N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide

C27H30N4O4 — CID 20867013

IUPACN-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4cccc(OC)c4)ccn3)CC2)cc1
InChIInChI=1S/C27H30N4O4/c1-34-23-8-6-19(7-9-23)18-29-26(32)20-11-14-31(15-12-20)25-16-21(10-13-28-25)27(33)30-22-4-3-5-24(17-22)35-2/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyPSLQXRUJBXVXCW-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.88
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide

N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 20867013) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID20867013
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4cccc(OC)c4)ccn3)CC2)cc1
InChIInChI=1S/C27H30N4O4/c1-34-23-8-6-19(7-9-23)18-29-26(32)20-11-14-31(15-12-20)25-16-21(10-13-28-25)27(33)30-22-4-3-5-24(17-22)35-2/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyPSLQXRUJBXVXCW-UHFFFAOYSA-N
XLogP3.88
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Vs-4718
CID 25073775
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2-(Morpholin-4-Yl)-N-[4-(Pyridin-4-Yloxy)phenyl]pyridine-4-Carboxamide
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2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
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4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
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[4-(4-Methoxy-pyridin-2-ylamino)-piperidin-1-yl]-phenyl-methanone
CID 11426929
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide (CID 20867013) is N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4cccc(OC)c4)ccn3)CC2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is PSLQXRUJBXVXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-23-8-6-19(7-9-23)18-29-26(32)20-11-14-31(15-12-20)25-16-21(10-13-28-25)27(33)30-22-4-3-5-24(17-22)35-2/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 20867013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).