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

C28H30N6O3 — CID 164610359

IUPACN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1cncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C28H30N6O3/c35-26(20-6-7-20)33-25-15-21(8-11-30-25)27(36)32-24-14-22(16-29-17-24)28(37)31-23-9-12-34(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,31,37)(H,32,36)(H,30,33,35)
InChIKeyVKIJTFYGLUKRHX-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.47
Rot. Bonds8

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

N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (PubChem CID 164610359) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
PubChem CID164610359
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC NameN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1cncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C28H30N6O3/c35-26(20-6-7-20)33-25-15-21(8-11-30-25)27(36)32-24-14-22(16-29-17-24)28(37)31-23-9-12-34(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,31,37)(H,32,36)(H,30,33,35)
InChIKeyVKIJTFYGLUKRHX-UHFFFAOYSA-N
XLogP3.47
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (CID 164610359) is N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is O=C(Nc1cncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The InChIKey is VKIJTFYGLUKRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c35-26(20-6-7-20)33-25-15-21(8-11-30-25)27(36)32-24-14-22(16-29-17-24)28(37)31-23-9-12-34(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,31,37)(H,32,36)(H,30,33,35).
What are the key properties of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 164610359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).