N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C17H23N5O3 — CID 119611558

IUPACN-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3CCCCC3CN)nc2n(C)c1=O
InChIInChI=1S/C17H23N5O3/c1-21-14-11(16(24)22(2)17(21)25)7-8-13(19-14)15(23)20-12-6-4-3-5-10(12)9-18/h7-8,10,12H,3-6,9,18H2,1-2H3,(H,20,23)
InChIKeySVGHXUIDCBWORW-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.12
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 119611558) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID119611558
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3CCCCC3CN)nc2n(C)c1=O
InChIInChI=1S/C17H23N5O3/c1-21-14-11(16(24)22(2)17(21)25)7-8-13(19-14)15(23)20-12-6-4-3-5-10(12)9-18/h7-8,10,12H,3-6,9,18H2,1-2H3,(H,20,23)
InChIKeySVGHXUIDCBWORW-UHFFFAOYSA-N
XLogP-0.12
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 119609675
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119609674
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119571068
1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 47048571
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-(1-adamantyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 46597508
1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 56547323
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
CID 119612211
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55929786

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 119611558) is N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)NC3CCCCC3CN)nc2n(C)c1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is SVGHXUIDCBWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-21-14-11(16(24)22(2)17(21)25)7-8-13(19-14)15(23)20-12-6-4-3-5-10(12)9-18/h7-8,10,12H,3-6,9,18H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 345.40 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 119611558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).