N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide

C28H36N6O4 — CID 130242777

IUPACN-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide
SMILESCC1=CNCC(C(=O)NC2CCCN(C(=O)Nc3ccc4c(c3)c(=O)n(CC3CC3)c(=O)n4C(C)C)C2)=C1
InChIInChI=1S/C28H36N6O4/c1-17(2)34-24-9-8-21(12-23(24)26(36)33(28(34)38)15-19-6-7-19)31-27(37)32-10-4-5-22(16-32)30-25(35)20-11-18(3)13-29-14-20/h8-9,11-13,17,19,22,29H,4-7,10,14-16H2,1-3H3,(H,30,35)(H,31,37)
InChIKeyCTRYPEUTPGJNKD-UHFFFAOYSA-N
MW520.63 g/mol
LogP2.70
Rot. Bonds6

About N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide

N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 130242777) has the molecular formula C28H36N6O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide
PubChem CID130242777
Molecular FormulaC28H36N6O4
Molecular Weight520.63 g/mol
Exact Mass520.28
IUPAC NameN-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide
SMILESCC1=CNCC(C(=O)NC2CCCN(C(=O)Nc3ccc4c(c3)c(=O)n(CC3CC3)c(=O)n4C(C)C)C2)=C1
InChIInChI=1S/C28H36N6O4/c1-17(2)34-24-9-8-21(12-23(24)26(36)33(28(34)38)15-19-6-7-19)31-27(37)32-10-4-5-22(16-32)30-25(35)20-11-18(3)13-29-14-20/h8-9,11-13,17,19,22,29H,4-7,10,14-16H2,1-3H3,(H,30,35)(H,31,37)
InChIKeyCTRYPEUTPGJNKD-UHFFFAOYSA-N
XLogP2.70
TPSA117.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide (CID 130242777) is N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide is CC1=CNCC(C(=O)NC2CCCN(C(=O)Nc3ccc4c(c3)c(=O)n(CC3CC3)c(=O)n4C(C)C)C2)=C1.
What is the InChIKey of N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is CTRYPEUTPGJNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O4/c1-17(2)34-24-9-8-21(12-23(24)26(36)33(28(34)38)15-19-6-7-19)31-27(37)32-10-4-5-22(16-32)30-25(35)20-11-18(3)13-29-14-20/h8-9,11-13,17,19,22,29H,4-7,10,14-16H2,1-3H3,(H,30,35)(H,31,37).
What are the key properties of N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide?
N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-5-methyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 130242777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).