3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C17H19N5O2 — CID 97463641

IUPAC3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(NCC2CC2)ncc2c1CCN(c1ncccn1)C2
InChIInChI=1S/C17H19N5O2/c23-16(24)14-13-4-7-22(17-18-5-1-6-19-17)10-12(13)9-21-15(14)20-8-11-2-3-11/h1,5-6,9,11H,2-4,7-8,10H2,(H,20,21)(H,23,24)
InChIKeyYGMYZTZHNMQCDY-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.95
Rot. Bonds5

About 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463641) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463641
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(NCC2CC2)ncc2c1CCN(c1ncccn1)C2
InChIInChI=1S/C17H19N5O2/c23-16(24)14-13-4-7-22(17-18-5-1-6-19-17)10-12(13)9-21-15(14)20-8-11-2-3-11/h1,5-6,9,11H,2-4,7-8,10H2,(H,20,21)(H,23,24)
InChIKeyYGMYZTZHNMQCDY-UHFFFAOYSA-N
XLogP1.95
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463641) is 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(NCC2CC2)ncc2c1CCN(c1ncccn1)C2.
What is the InChIKey of 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is YGMYZTZHNMQCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-16(24)14-13-4-7-22(17-18-5-1-6-19-17)10-12(13)9-21-15(14)20-8-11-2-3-11/h1,5-6,9,11H,2-4,7-8,10H2,(H,20,21)(H,23,24).
What are the key properties of 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).