7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide

C19H21N5O2 — CID 171555792

IUPAC7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide
SMILESCCC(=O)C1C=C(C)C(c2cc3cnc(N)cc3nc2C(=O)NC)=CN1
InChIInChI=1S/C19H21N5O2/c1-4-16(25)15-5-10(2)13(9-22-15)12-6-11-8-23-17(20)7-14(11)24-18(12)19(26)21-3/h5-9,15,22H,4H2,1-3H3,(H2,20,23)(H,21,26)
InChIKeyLAIVRNLWJNJSCQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.81
Rot. Bonds4

About 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide

7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide (PubChem CID 171555792) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide
PubChem CID171555792
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide
SMILESCCC(=O)C1C=C(C)C(c2cc3cnc(N)cc3nc2C(=O)NC)=CN1
InChIInChI=1S/C19H21N5O2/c1-4-16(25)15-5-10(2)13(9-22-15)12-6-11-8-23-17(20)7-14(11)24-18(12)19(26)21-3/h5-9,15,22H,4H2,1-3H3,(H2,20,23)(H,21,26)
InChIKeyLAIVRNLWJNJSCQ-UHFFFAOYSA-N
XLogP1.81
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide (CID 171555792) is 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide is CCC(=O)C1C=C(C)C(c2cc3cnc(N)cc3nc2C(=O)NC)=CN1.
What is the InChIKey of 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is LAIVRNLWJNJSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-16(25)15-5-10(2)13(9-22-15)12-6-11-8-23-17(20)7-14(11)24-18(12)19(26)21-3/h5-9,15,22H,4H2,1-3H3,(H2,20,23)(H,21,26).
What are the key properties of 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide?
7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 171555792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).