4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide

C16H21ClN4O — CID 3079848

IUPAC4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(C)C)nc2ncccc2c1Cl
InChIInChI=1S/C16H21ClN4O/c1-5-21(6-2)16(22)12-13(17)11-8-7-9-18-14(11)20-15(12)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyJZUPAALNUXEICX-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.59
Rot. Bonds5

About 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide

4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide (PubChem CID 3079848) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide
PubChem CID3079848
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(C)C)nc2ncccc2c1Cl
InChIInChI=1S/C16H21ClN4O/c1-5-21(6-2)16(22)12-13(17)11-8-7-9-18-14(11)20-15(12)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyJZUPAALNUXEICX-UHFFFAOYSA-N
XLogP3.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide (CID 3079848) is 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide is CCN(CC)C(=O)c1c(NC(C)C)nc2ncccc2c1Cl.
What is the InChIKey of 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide?
The InChIKey is JZUPAALNUXEICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-5-21(6-2)16(22)12-13(17)11-8-7-9-18-14(11)20-15(12)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide?
4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3079848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).