N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide

C20H28N4O2 — CID 146430126

IUPACN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1
InChIInChI=1S/C20H28N4O2/c1-20(2)8-6-14-10-15(11-21-17(14)22-20)19(26)24-9-7-16(12-24)23(3)18(25)13-4-5-13/h10-11,13,16H,4-9,12H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyKZCYYXRRHKECFV-INIZCTEOSA-N
MW356.47 g/mol
LogP2.30
Rot. Bonds3

About N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide

N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide (PubChem CID 146430126) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
PubChem CID146430126
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1
InChIInChI=1S/C20H28N4O2/c1-20(2)8-6-14-10-15(11-21-17(14)22-20)19(26)24-9-7-16(12-24)23(3)18(25)13-4-5-13/h10-11,13,16H,4-9,12H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyKZCYYXRRHKECFV-INIZCTEOSA-N
XLogP2.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide (CID 146430126) is N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1.
What is the InChIKey of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is KZCYYXRRHKECFV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2)8-6-14-10-15(11-21-17(14)22-20)19(26)24-9-7-16(12-24)23(3)18(25)13-4-5-13/h10-11,13,16H,4-9,12H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide?
N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 146430126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).