4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide

C19H19N5O — CID 71618473

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12)C1CC1
InChIInChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1
InChIKeyUUJZEVZCQJFBFS-LLVKDONJSA-N
MW333.40 g/mol
LogP3.00
Rot. Bonds5

About 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide

4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide (PubChem CID 71618473) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide
PubChem CID71618473
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12)C1CC1
InChIInChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1
InChIKeyUUJZEVZCQJFBFS-LLVKDONJSA-N
XLogP3.00
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide (CID 71618473) is 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide is C[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide?
The InChIKey is UUJZEVZCQJFBFS-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide?
4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide is sourced from PubChem (CID 71618473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).