4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide

C18H23ClN4O — CID 3074387

IUPAC4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide
SMILESC=CCNc1nc2ncccc2c(Cl)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C18H23ClN4O/c1-6-9-20-17-14(18(24)23(11(2)3)12(4)5)15(19)13-8-7-10-21-16(13)22-17/h6-8,10-12H,1,9H2,2-5H3,(H,20,21,22)
InChIKeyRSJKLFOOZHBURS-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.14
Rot. Bonds6

About 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide

4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide (PubChem CID 3074387) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide
PubChem CID3074387
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide
SMILESC=CCNc1nc2ncccc2c(Cl)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C18H23ClN4O/c1-6-9-20-17-14(18(24)23(11(2)3)12(4)5)15(19)13-8-7-10-21-16(13)22-17/h6-8,10-12H,1,9H2,2-5H3,(H,20,21,22)
InChIKeyRSJKLFOOZHBURS-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide (CID 3074387) is 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide is C=CCNc1nc2ncccc2c(Cl)c1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide?
The InChIKey is RSJKLFOOZHBURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-6-9-20-17-14(18(24)23(11(2)3)12(4)5)15(19)13-8-7-10-21-16(13)22-17/h6-8,10-12H,1,9H2,2-5H3,(H,20,21,22).
What are the key properties of 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide?
4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3074387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).