(2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide

C19H26N4O2 — CID 164619273

IUPAC(2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide
SMILESCNc1cc(-c2ccc(NC(=O)[C@H](N)CC(C)C)cc2OC)ccn1
InChIInChI=1S/C19H26N4O2/c1-12(2)9-16(20)19(24)23-14-5-6-15(17(11-14)25-4)13-7-8-22-18(10-13)21-3/h5-8,10-12,16H,9,20H2,1-4H3,(H,21,22)(H,23,24)/t16-/m1/s1
InChIKeyMEWRJARJAVOZFJ-MRXNPFEDSA-N
MW342.44 g/mol
LogP3.11
Rot. Bonds7

About (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide

(2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide (PubChem CID 164619273) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide
PubChem CID164619273
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide
SMILESCNc1cc(-c2ccc(NC(=O)[C@H](N)CC(C)C)cc2OC)ccn1
InChIInChI=1S/C19H26N4O2/c1-12(2)9-16(20)19(24)23-14-5-6-15(17(11-14)25-4)13-7-8-22-18(10-13)21-3/h5-8,10-12,16H,9,20H2,1-4H3,(H,21,22)(H,23,24)/t16-/m1/s1
InChIKeyMEWRJARJAVOZFJ-MRXNPFEDSA-N
XLogP3.11
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide (CID 164619273) is (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide is CNc1cc(-c2ccc(NC(=O)[C@H](N)CC(C)C)cc2OC)ccn1.
What is the InChIKey of (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide?
The InChIKey is MEWRJARJAVOZFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)9-16(20)19(24)23-14-5-6-15(17(11-14)25-4)13-7-8-22-18(10-13)21-3/h5-8,10-12,16H,9,20H2,1-4H3,(H,21,22)(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide has a molecular weight of 342.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 164619273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).