1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea

C11H16N4O — CID 59781432

IUPAC1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
SMILESCN1CC[C@@H](NC(=O)Nc2cccnc2)C1
InChIInChI=1S/C11H16N4O/c1-15-6-4-10(8-15)14-11(16)13-9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3,(H2,13,14,16)/t10-/m1/s1
InChIKeyMJWVQWADYWTRDU-SNVBAGLBSA-N
MW220.28 g/mol
LogP0.91
Rot. Bonds2

About 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea

1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea (PubChem CID 59781432) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
PubChem CID59781432
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
SMILESCN1CC[C@@H](NC(=O)Nc2cccnc2)C1
InChIInChI=1S/C11H16N4O/c1-15-6-4-10(8-15)14-11(16)13-9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3,(H2,13,14,16)/t10-/m1/s1
InChIKeyMJWVQWADYWTRDU-SNVBAGLBSA-N
XLogP0.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
CID 61464965
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
CID 143564697
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea
CID 72561982
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 61465218
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
CID 56791594
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea (CID 59781432) is 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea is CN1CC[C@@H](NC(=O)Nc2cccnc2)C1.
What is the InChIKey of 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea?
The InChIKey is MJWVQWADYWTRDU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15-6-4-10(8-15)14-11(16)13-9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3,(H2,13,14,16)/t10-/m1/s1.
What are the key properties of 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea?
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea has a molecular weight of 220.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 59781432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).