(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide

C14H23N5O2 — CID 82963467

IUPAC(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)Nc1cccnc1N(C)C
InChIInChI=1S/C14H23N5O2/c1-9(2)12(15)14(21)17-8-11(20)18-10-6-5-7-16-13(10)19(3)4/h5-7,9,12H,8,15H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1
InChIKeyRDMNFPFFNGPJFT-LBPRGKRZSA-N
MW293.37 g/mol
LogP0.19
Rot. Bonds6

About (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82963467) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82963467
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)Nc1cccnc1N(C)C
InChIInChI=1S/C14H23N5O2/c1-9(2)12(15)14(21)17-8-11(20)18-10-6-5-7-16-13(10)19(3)4/h5-7,9,12H,8,15H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1
InChIKeyRDMNFPFFNGPJFT-LBPRGKRZSA-N
XLogP0.19
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
CID 61173712
3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
CID 62230948
(2R)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]pentanamide
CID 107568545
(2S)-2-amino-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81424178
2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide
CID 54928517
3-amino-4-[[2-(dimethylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896477
(2S)-2-amino-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119271120
(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82963336
(2S)-2-amino-N-[2-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963468
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
2-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide (CID 82963467) is (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccnc1N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is RDMNFPFFNGPJFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)12(15)14(21)17-8-11(20)18-10-6-5-7-16-13(10)19(3)4/h5-7,9,12H,8,15H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82963467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).