N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide

C24H41N5O2 — CID 118422380

IUPACN-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESCOCC(C)N1CCC(N2CCCN(C3C=CC=C(C(=O)NCC4CC4)N3)CC2)CC1
InChIInChI=1S/C24H41N5O2/c1-19(18-31-2)27-13-9-21(10-14-27)28-11-4-12-29(16-15-28)23-6-3-5-22(26-23)24(30)25-17-20-7-8-20/h3,5-6,19-21,23,26H,4,7-18H2,1-2H3,(H,25,30)
InChIKeyDIAHOBCLLXRDPA-UHFFFAOYSA-N
MW431.63 g/mol
LogP1.39
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422380) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
PubChem CID118422380
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC NameN-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESCOCC(C)N1CCC(N2CCCN(C3C=CC=C(C(=O)NCC4CC4)N3)CC2)CC1
InChIInChI=1S/C24H41N5O2/c1-19(18-31-2)27-13-9-21(10-14-27)28-11-4-12-29(16-15-28)23-6-3-5-22(26-23)24(30)25-17-20-7-8-20/h3,5-6,19-21,23,26H,4,7-18H2,1-2H3,(H,25,30)
InChIKeyDIAHOBCLLXRDPA-UHFFFAOYSA-N
XLogP1.39
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (CID 118422380) is N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is COCC(C)N1CCC(N2CCCN(C3C=CC=C(C(=O)NCC4CC4)N3)CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is DIAHOBCLLXRDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2/c1-19(18-31-2)27-13-9-21(10-14-27)28-11-4-12-29(16-15-28)23-6-3-5-22(26-23)24(30)25-17-20-7-8-20/h3,5-6,19-21,23,26H,4,7-18H2,1-2H3,(H,25,30).
What are the key properties of N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 431.63 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).