(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride

C16H28Cl2N4O — CID 119841552

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccnc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-16(2,3)14(17)15(21)19-11-12-6-7-18-13(10-12)20-8-4-5-9-20;;/h6-7,10,14H,4-5,8-9,11,17H2,1-3H3,(H,19,21);2*1H/t14-;;/m1../s1
InChIKeyGYXYEUHLUNZEDC-FMOMHUKBSA-N
MW363.33 g/mol
LogP2.52
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride

(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride (PubChem CID 119841552) has the molecular formula C16H28Cl2N4O and a molecular weight of 363.33 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
PubChem CID119841552
Molecular FormulaC16H28Cl2N4O
Molecular Weight363.33 g/mol
Exact Mass362.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccnc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-16(2,3)14(17)15(21)19-11-12-6-7-18-13(10-12)20-8-4-5-9-20;;/h6-7,10,14H,4-5,8-9,11,17H2,1-3H3,(H,19,21);2*1H/t14-;;/m1../s1
InChIKeyGYXYEUHLUNZEDC-FMOMHUKBSA-N
XLogP2.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 120595081
2-hydroxy-2-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 111432227
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride (CID 119841552) is (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride is CC(C)(C)[C@H](N)C(=O)NCc1ccnc(N2CCCC2)c1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride?
The InChIKey is GYXYEUHLUNZEDC-FMOMHUKBSA-N. The full InChI is InChI=1S/C16H26N4O.2ClH/c1-16(2,3)14(17)15(21)19-11-12-6-7-18-13(10-12)20-8-4-5-9-20;;/h6-7,10,14H,4-5,8-9,11,17H2,1-3H3,(H,19,21);2*1H/t14-;;/m1../s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride?
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119841552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).