N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride

C20H33Cl2N5O3 — CID 120654752

IUPACN-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C.Cl.Cl
InChIInChI=1S/C20H31N5O3.2ClH/c1-7-21-13(6)9-22-18(26)14-8-15(12(4)5)23-17-16(14)19(27)24-20(28)25(17)10-11(2)3;;/h8,11-13,21H,7,9-10H2,1-6H3,(H,22,26)(H,24,27,28);2*1H/t13-;;/m1../s1
InChIKeySQXWDIOZDREUQQ-FFXKMJQXSA-N
MW462.42 g/mol
LogP2.44
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride

N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (PubChem CID 120654752) has the molecular formula C20H33Cl2N5O3 and a molecular weight of 462.42 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
PubChem CID120654752
Molecular FormulaC20H33Cl2N5O3
Molecular Weight462.42 g/mol
Exact Mass461.20
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C.Cl.Cl
InChIInChI=1S/C20H31N5O3.2ClH/c1-7-21-13(6)9-22-18(26)14-8-15(12(4)5)23-17-16(14)19(27)24-20(28)25(17)10-11(2)3;;/h8,11-13,21H,7,9-10H2,1-6H3,(H,22,26)(H,24,27,28);2*1H/t13-;;/m1../s1
InChIKeySQXWDIOZDREUQQ-FFXKMJQXSA-N
XLogP2.44
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (CID 120654752) is N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C.Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is SQXWDIOZDREUQQ-FFXKMJQXSA-N. The full InChI is InChI=1S/C20H31N5O3.2ClH/c1-7-21-13(6)9-22-18(26)14-8-15(12(4)5)23-17-16(14)19(27)24-20(28)25(17)10-11(2)3;;/h8,11-13,21H,7,9-10H2,1-6H3,(H,22,26)(H,24,27,28);2*1H/t13-;;/m1../s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 462.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120654752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).