N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride

C20H30ClN5O3 — CID 119571079

IUPACN-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(CC)(CC)CN)cc(C3CC3)nc21.Cl
InChIInChI=1S/C20H29N5O3.ClH/c1-4-9-25-16-15(18(27)23-19(25)28)13(10-14(22-16)12-7-8-12)17(26)24-20(5-2,6-3)11-21;/h10,12H,4-9,11,21H2,1-3H3,(H,24,26)(H,23,27,28);1H
InChIKeyROTIVTVHXKMVLY-UHFFFAOYSA-N
MW423.95 g/mol
LogP2.04
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 119571079) has the molecular formula C20H30ClN5O3 and a molecular weight of 423.95 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
PubChem CID119571079
Molecular FormulaC20H30ClN5O3
Molecular Weight423.95 g/mol
Exact Mass423.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(CC)(CC)CN)cc(C3CC3)nc21.Cl
InChIInChI=1S/C20H29N5O3.ClH/c1-4-9-25-16-15(18(27)23-19(25)28)13(10-14(22-16)12-7-8-12)17(26)24-20(5-2,6-3)11-21;/h10,12H,4-9,11,21H2,1-3H3,(H,24,26)(H,23,27,28);1H
InChIKeyROTIVTVHXKMVLY-UHFFFAOYSA-N
XLogP2.04
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
N-(2-aminophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119422524
7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 120554882
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
5-(3-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 119380475
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266376

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride (CID 119571079) is N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(CC)(CC)CN)cc(C3CC3)nc21.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is ROTIVTVHXKMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3.ClH/c1-4-9-25-16-15(18(27)23-19(25)28)13(10-14(22-16)12-7-8-12)17(26)24-20(5-2,6-3)11-21;/h10,12H,4-9,11,21H2,1-3H3,(H,24,26)(H,23,27,28);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 423.95 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119571079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).