(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide

C15H23N3O2 — CID 99704294

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
SMILESCC(C)Oc1cc(CN(C(=O)[C@H](C)N)C2CC2)ccn1
InChIInChI=1S/C15H23N3O2/c1-10(2)20-14-8-12(6-7-17-14)9-18(13-4-5-13)15(19)11(3)16/h6-8,10-11,13H,4-5,9,16H2,1-3H3/t11-/m0/s1
InChIKeyHGYCCKWCRNTXHE-NSHDSACASA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds6

About (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide

(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide (PubChem CID 99704294) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
PubChem CID99704294
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
SMILESCC(C)Oc1cc(CN(C(=O)[C@H](C)N)C2CC2)ccn1
InChIInChI=1S/C15H23N3O2/c1-10(2)20-14-8-12(6-7-17-14)9-18(13-4-5-13)15(19)11(3)16/h6-8,10-11,13H,4-5,9,16H2,1-3H3/t11-/m0/s1
InChIKeyHGYCCKWCRNTXHE-NSHDSACASA-N
XLogP1.71
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide (CID 99704294) is (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide is CC(C)Oc1cc(CN(C(=O)[C@H](C)N)C2CC2)ccn1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide?
The InChIKey is HGYCCKWCRNTXHE-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)20-14-8-12(6-7-17-14)9-18(13-4-5-13)15(19)11(3)16/h6-8,10-11,13H,4-5,9,16H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide?
(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 99704294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).