5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

C20H29N5O3 — CID 78851788

IUPAC5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCN(C)CC3)cc(C(C)C)nc21
InChIInChI=1S/C20H29N5O3/c1-5-7-25-17-16(18(26)22-20(25)28)14(12-15(21-17)13(2)3)19(27)24-9-6-8-23(4)10-11-24/h12-13H,5-11H2,1-4H3,(H,22,26,28)
InChIKeyQUTIFCVTWRQLTA-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.40
Rot. Bonds4

About 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 78851788) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID78851788
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCN(C)CC3)cc(C(C)C)nc21
InChIInChI=1S/C20H29N5O3/c1-5-7-25-17-16(18(26)22-20(25)28)14(12-15(21-17)13(2)3)19(27)24-9-6-8-23(4)10-11-24/h12-13H,5-11H2,1-4H3,(H,22,26,28)
InChIKeyQUTIFCVTWRQLTA-UHFFFAOYSA-N
XLogP1.40
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 78851788) is 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCN(C)CC3)cc(C(C)C)nc21.
What is the InChIKey of 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QUTIFCVTWRQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-5-7-25-17-16(18(26)22-20(25)28)14(12-15(21-17)13(2)3)19(27)24-9-6-8-23(4)10-11-24/h12-13H,5-11H2,1-4H3,(H,22,26,28).
What are the key properties of 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 387.48 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 78851788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).