4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide

C20H21N5O2 — CID 71061122

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccc(=O)n(C)c3)ccc12)C1CC1
InChIInChI=1S/C20H21N5O2/c1-11(12-3-4-12)22-18-15-7-5-13(14-6-8-17(26)25(2)10-14)9-16(15)23-24-19(18)20(21)27/h5-12H,3-4H2,1-2H3,(H2,21,27)(H,22,23)/t11-/m1/s1
InChIKeyKCONLLWIBPTTAP-LLVKDONJSA-N
MW363.42 g/mol
LogP2.30
Rot. Bonds5

About 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide

4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide (PubChem CID 71061122) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide
PubChem CID71061122
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccc(=O)n(C)c3)ccc12)C1CC1
InChIInChI=1S/C20H21N5O2/c1-11(12-3-4-12)22-18-15-7-5-13(14-6-8-17(26)25(2)10-14)9-16(15)23-24-19(18)20(21)27/h5-12H,3-4H2,1-2H3,(H2,21,27)(H,22,23)/t11-/m1/s1
InChIKeyKCONLLWIBPTTAP-LLVKDONJSA-N
XLogP2.30
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide (CID 71061122) is 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide is C[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccc(=O)n(C)c3)ccc12)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide?
The InChIKey is KCONLLWIBPTTAP-LLVKDONJSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-11(12-3-4-12)22-18-15-7-5-13(14-6-8-17(26)25(2)10-14)9-16(15)23-24-19(18)20(21)27/h5-12H,3-4H2,1-2H3,(H2,21,27)(H,22,23)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide?
4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methyl-6-oxo-3-pyridinyl)cinnoline-3-carboxamide is sourced from PubChem (CID 71061122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).