N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide

C24H26ClN5O2 — CID 166131227

IUPACN-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(NC(=O)CCCc3cn[nH]c3)cn2)cc1Cl
InChIInChI=1S/C24H26ClN5O2/c1-16(31)30(15-17-5-6-17)23-10-7-19(11-21(23)25)22-9-8-20(14-26-22)29-24(32)4-2-3-18-12-27-28-13-18/h7-14,17H,2-6,15H2,1H3,(H,27,28)(H,29,32)
InChIKeyPFLZWKIDZVXAOM-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.85
Rot. Bonds9

About N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide

N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 166131227) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID166131227
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(NC(=O)CCCc3cn[nH]c3)cn2)cc1Cl
InChIInChI=1S/C24H26ClN5O2/c1-16(31)30(15-17-5-6-17)23-10-7-19(11-21(23)25)22-9-8-20(14-26-22)29-24(32)4-2-3-18-12-27-28-13-18/h7-14,17H,2-6,15H2,1H3,(H,27,28)(H,29,32)
InChIKeyPFLZWKIDZVXAOM-UHFFFAOYSA-N
XLogP4.85
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide (CID 166131227) is N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide is CC(=O)N(CC1CC1)c1ccc(-c2ccc(NC(=O)CCCc3cn[nH]c3)cn2)cc1Cl.
What is the InChIKey of N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is PFLZWKIDZVXAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-16(31)30(15-17-5-6-17)23-10-7-19(11-21(23)25)22-9-8-20(14-26-22)29-24(32)4-2-3-18-12-27-28-13-18/h7-14,17H,2-6,15H2,1H3,(H,27,28)(H,29,32).
What are the key properties of N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 451.96 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 166131227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).