N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide

C19H22N4O2 — CID 95598647

IUPACN-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1
InChIInChI=1S/C19H22N4O2/c20-18(24)15-7-4-10-23(13-15)16-8-9-21-17(11-16)19(25)22-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H2,20,24)(H,22,25)/t15-/m0/s1
InChIKeyADBZLNPFHZJCRD-HNNXBMFYSA-N
MW338.41 g/mol
LogP1.71
Rot. Bonds5

About N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide

N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide (PubChem CID 95598647) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide
PubChem CID95598647
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1
InChIInChI=1S/C19H22N4O2/c20-18(24)15-7-4-10-23(13-15)16-8-9-21-17(11-16)19(25)22-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H2,20,24)(H,22,25)/t15-/m0/s1
InChIKeyADBZLNPFHZJCRD-HNNXBMFYSA-N
XLogP1.71
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide (CID 95598647) is N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide is NC(=O)[C@H]1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1.
What is the InChIKey of N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is ADBZLNPFHZJCRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-18(24)15-7-4-10-23(13-15)16-8-9-21-17(11-16)19(25)22-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H2,20,24)(H,22,25)/t15-/m0/s1.
What are the key properties of N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide?
N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(3S)-3-carbamoylpiperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95598647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).