N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C19H27N5O3 — CID 119604468

IUPACN-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCC3CN)cc(C(C)C)nc21
InChIInChI=1S/C19H27N5O3/c1-4-24-16-15(18(26)23-19(24)27)12(8-14(21-16)10(2)3)17(25)22-13-7-5-6-11(13)9-20/h8,10-11,13H,4-7,9,20H2,1-3H3,(H,22,25)(H,23,26,27)
InChIKeyAMQUUEUOSSUTRJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.09
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 119604468) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID119604468
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCC3CN)cc(C(C)C)nc21
InChIInChI=1S/C19H27N5O3/c1-4-24-16-15(18(26)23-19(24)27)12(8-14(21-16)10(2)3)17(25)22-13-7-5-6-11(13)9-20/h8,10-11,13H,4-7,9,20H2,1-3H3,(H,22,25)(H,23,26,27)
InChIKeyAMQUUEUOSSUTRJ-UHFFFAOYSA-N
XLogP1.09
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 119604468) is N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCC3CN)cc(C(C)C)nc21.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AMQUUEUOSSUTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-4-24-16-15(18(26)23-19(24)27)12(8-14(21-16)10(2)3)17(25)22-13-7-5-6-11(13)9-20/h8,10-11,13H,4-7,9,20H2,1-3H3,(H,22,25)(H,23,26,27).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 119604468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).