N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide

C29H30N4O — CID 67308518

IUPACN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(NC(C)C)nc4)c3)cc2)ccn1
InChIInChI=1S/C29H30N4O/c1-19(2)32-28-13-10-26(18-31-28)24-7-5-6-23(17-24)21(4)29(34)33-27-11-8-22(9-12-27)25-14-15-30-20(3)16-25/h5-19,21H,1-4H3,(H,31,32)(H,33,34)
InChIKeyMSGPKGUDKPCYAK-UHFFFAOYSA-N
MW450.59 g/mol
LogP6.68
Rot. Bonds7

About N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide (PubChem CID 67308518) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide
PubChem CID67308518
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(NC(C)C)nc4)c3)cc2)ccn1
InChIInChI=1S/C29H30N4O/c1-19(2)32-28-13-10-26(18-31-28)24-7-5-6-23(17-24)21(4)29(34)33-27-11-8-22(9-12-27)25-14-15-30-20(3)16-25/h5-19,21H,1-4H3,(H,31,32)(H,33,34)
InChIKeyMSGPKGUDKPCYAK-UHFFFAOYSA-N
XLogP6.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide (CID 67308518) is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(NC(C)C)nc4)c3)cc2)ccn1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide?
The InChIKey is MSGPKGUDKPCYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-19(2)32-28-13-10-26(18-31-28)24-7-5-6-23(17-24)21(4)29(34)33-27-11-8-22(9-12-27)25-14-15-30-20(3)16-25/h5-19,21H,1-4H3,(H,31,32)(H,33,34).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide?
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide has a molecular weight of 450.59 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-[6-(propan-2-ylamino)-3-pyridinyl]phenyl]propanamide is sourced from PubChem (CID 67308518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).