5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide

C16H19ClN4O — CID 172694688

IUPAC5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)N(C)C)c(N3CCCC3)nc2n1
InChIInChI=1S/C16H19ClN4O/c1-10-8-13(17)11-9-12(16(22)20(2)3)15(19-14(11)18-10)21-6-4-5-7-21/h8-9H,4-7H2,1-3H3
InChIKeyCDWPKIARBNWVBR-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.89
Rot. Bonds2

About 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide

5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 172694688) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide
PubChem CID172694688
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)N(C)C)c(N3CCCC3)nc2n1
InChIInChI=1S/C16H19ClN4O/c1-10-8-13(17)11-9-12(16(22)20(2)3)15(19-14(11)18-10)21-6-4-5-7-21/h8-9H,4-7H2,1-3H3
InChIKeyCDWPKIARBNWVBR-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide (CID 172694688) is 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide is Cc1cc(Cl)c2cc(C(=O)N(C)C)c(N3CCCC3)nc2n1.
What is the InChIKey of 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is CDWPKIARBNWVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-8-13(17)11-9-12(16(22)20(2)3)15(19-14(11)18-10)21-6-4-5-7-21/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide?
5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N,7-trimethyl-2-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 172694688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).