N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide

C22H24N6O2 — CID 166645572

IUPACN-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide
SMILESCNCCNc1ncc(C(=O)Nc2ccc(-c3cccc(OC4CC4)c3)cn2)cn1
InChIInChI=1S/C22H24N6O2/c1-23-9-10-24-22-26-13-17(14-27-22)21(29)28-20-8-5-16(12-25-20)15-3-2-4-19(11-15)30-18-6-7-18/h2-5,8,11-14,18,23H,6-7,9-10H2,1H3,(H,24,26,27)(H,25,28,29)
InChIKeyMNFNZNADPJQFSB-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.96
Rot. Bonds9

About N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide

N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide (PubChem CID 166645572) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide
PubChem CID166645572
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide
SMILESCNCCNc1ncc(C(=O)Nc2ccc(-c3cccc(OC4CC4)c3)cn2)cn1
InChIInChI=1S/C22H24N6O2/c1-23-9-10-24-22-26-13-17(14-27-22)21(29)28-20-8-5-16(12-25-20)15-3-2-4-19(11-15)30-18-6-7-18/h2-5,8,11-14,18,23H,6-7,9-10H2,1H3,(H,24,26,27)(H,25,28,29)
InChIKeyMNFNZNADPJQFSB-UHFFFAOYSA-N
XLogP2.96
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
2-chloro-N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 162697161
N-[5-(3-cyclopropylphenyl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240170
N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-6-methylpyridine-3-carboxamide
CID 129240179
1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
CID 114522522
N-(4-cyclopropyloxy-2-pyridinyl)benzamide
CID 90303211
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
5-cyclopropyl-2-[[2-(3-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid
CID 58415862
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
CID 163344818
5-chloro-N-(5-phenyl-2-pyridinyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55951557

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide (CID 166645572) is N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide is CNCCNc1ncc(C(=O)Nc2ccc(-c3cccc(OC4CC4)c3)cn2)cn1.
What is the InChIKey of N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is MNFNZNADPJQFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-23-9-10-24-22-26-13-17(14-27-22)21(29)28-20-8-5-16(12-25-20)15-3-2-4-19(11-15)30-18-6-7-18/h2-5,8,11-14,18,23H,6-7,9-10H2,1H3,(H,24,26,27)(H,25,28,29).
What are the key properties of N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide?
N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.96, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-[2-(methylamino)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 166645572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).