N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide

C20H33N5O2 — CID 118422376

IUPACN-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=C(O)C(N2CCCN(C3CCNCC3)CC2)N1
InChIInChI=1S/C20H33N5O2/c26-18-5-4-17(20(27)22-14-15-2-3-15)23-19(18)25-11-1-10-24(12-13-25)16-6-8-21-9-7-16/h4-5,15-16,19,21,23,26H,1-3,6-14H2,(H,22,27)
InChIKeyDHVVZEHZKLBHAA-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.53
Rot. Bonds5

About N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422376) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID118422376
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=C(O)C(N2CCCN(C3CCNCC3)CC2)N1
InChIInChI=1S/C20H33N5O2/c26-18-5-4-17(20(27)22-14-15-2-3-15)23-19(18)25-11-1-10-24(12-13-25)16-6-8-21-9-7-16/h4-5,15-16,19,21,23,26H,1-3,6-14H2,(H,22,27)
InChIKeyDHVVZEHZKLBHAA-UHFFFAOYSA-N
XLogP0.53
TPSA79.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-[4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422391
N-(cyclopropylmethyl)-2-[4-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422506
N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422514
N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422380
N-(cyclopropylmethyl)-2-[4-[1-(oxolan-3-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422402
N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422414
2-[4-(1-aminopiperidin-4-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)-1,2-dihydropyridine-6-carboxamide
CID 118422442
N-butyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422456
N-methyl-N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422467
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide
CID 118422470
N-(cyclopropylmethyl)-2-[4-(1-pentan-3-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422479
N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422480

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide (CID 118422376) is N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide is O=C(NCC1CC1)C1=CC=C(O)C(N2CCCN(C3CCNCC3)CC2)N1.
What is the InChIKey of N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is DHVVZEHZKLBHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c26-18-5-4-17(20(27)22-14-15-2-3-15)23-19(18)25-11-1-10-24(12-13-25)16-6-8-21-9-7-16/h4-5,15-16,19,21,23,26H,1-3,6-14H2,(H,22,27).
What are the key properties of N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).