N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C15H17N5O3 — CID 56916353

IUPACN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1c[nH]c(=O)[nH]c1=O)CCNC2
InChIInChI=1S/C15H17N5O3/c1-8-11(10-2-3-16-4-9(10)5-17-8)6-18-13(21)12-7-19-15(23)20-14(12)22/h5,7,16H,2-4,6H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyRWOMMVNYRZNIIT-UHFFFAOYSA-N
MW315.33 g/mol
LogP-0.66
Rot. Bonds3

About N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 56916353) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID56916353
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1c[nH]c(=O)[nH]c1=O)CCNC2
InChIInChI=1S/C15H17N5O3/c1-8-11(10-2-3-16-4-9(10)5-17-8)6-18-13(21)12-7-19-15(23)20-14(12)22/h5,7,16H,2-4,6H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyRWOMMVNYRZNIIT-UHFFFAOYSA-N
XLogP-0.66
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
CID 56897206
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 56881694
7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 56891014
3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 56914454
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride
CID 154896503
3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56904541
4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56883318
3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56886039
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56898601
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 56886955
(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide
CID 56893649
5,7-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56900912

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 56916353) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1ncc2c(c1CNC(=O)c1c[nH]c(=O)[nH]c1=O)CCNC2.
What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RWOMMVNYRZNIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-8-11(10-2-3-16-4-9(10)5-17-8)6-18-13(21)12-7-19-15(23)20-14(12)22/h5,7,16H,2-4,6H2,1H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 315.33 g/mol, XLogP of -0.66, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56916353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).